tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C70H86BF3N10O9 — CID 161108517

About tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 161108517) has the molecular formula C70H86BF3N10O9 and a molecular weight of 1279.32 g/mol. Its IUPAC name is tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

• Compound Name: tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
• PubChem CID: 161108517
• Molecular Formula: C70H86BF3N10O9
• Molecular Weight: 1279.32 g/mol
• Exact Mass: 1278.66
• IUPAC Name: tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccncc2)CC1.Cc1ccncc1.O=C(N1CC=C(c2ccncc2)CC1)C(F)(F)F.O=C1CCc2cc(/C=C/C(=O)N3CC=C(c4ccncc4)CC3)cnc2N1
• InChI: InChI=1S/C21H20N4O2.C16H28BNO4.C15H20N2O2.C12H11F3N2O.C6H7N/c26-19-3-2-18-13-15(14-23-21(18)24-19)1-4-20(27)25-11-7-17(8-12-25)16-5-9-22-10-6-16;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;13-12(14,15)11(18)17-7-3-10(4-8-17)9-1-5-16-6-2-9;1-6-2-4-7-5-3-6/h1,4-7,9-10,13-14H,2-3,8,11-12H2,(H,23,24,26);8H,9-11H2,1-7H3;4-6,8-9H,7,10-11H2,1-3H3;1-3,5-6H,4,7-8H2;2-5H,1H3/b4-1+
• InChIKey: UJJRJADOWMNEKR-HHRCHKBGSA-N
• XLogP: 12.63
• TPSA: 211.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.32
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?

The IUPAC name of tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 161108517) is tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

What is the SMILES notation for tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?

The canonical SMILES for tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccncc2)CC1.Cc1ccncc1.O=C(N1CC=C(c2ccncc2)CC1)C(F)(F)F.O=C1CCc2cc(/C=C/C(=O)N3CC=C(c4ccncc4)CC3)cnc2N1.

What is the InChIKey of tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?

The InChIKey is UJJRJADOWMNEKR-HHRCHKBGSA-N. The full InChI is InChI=1S/C21H20N4O2.C16H28BNO4.C15H20N2O2.C12H11F3N2O.C6H7N/c26-19-3-2-18-13-15(14-23-21(18)24-19)1-4-20(27)25-11-7-17(8-12-25)16-5-9-22-10-6-16;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;13-12(14,15)11(18)17-7-3-10(4-8-17)9-1-5-16-6-2-9;1-6-2-4-7-5-3-6/h1,4-7,9-10,13-14H,2-3,8,11-12H2,(H,23,24,26);8H,9-11H2,1-7H3;4-6,8-9H,7,10-11H2,1-3H3;1-3,5-6H,4,7-8H2;2-5H,1H3/b4-1+;;;;.

What are the key properties of tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?

tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 1279.32 g/mol, XLogP of 12.63, 6 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 161108517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).